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7XJ1
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BU of 7xj1 by Molmil
Structure of human TRPV3_G573S in complex with Trpvicin in C2 symmetry
分子名称: Fusion protein of Transient receptor potential cation channel subfamily V member 3 and 3C-GFP, N-[5-[2-(2-cyanopropan-2-yl)pyridin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxy-pyrimidine-5-carboxamide, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
著者Fan, J, Yue, Z, Jiang, D, Lei, X.
登録日2022-04-14
公開日2022-11-09
最終更新日2025-06-25
実験手法ELECTRON MICROSCOPY (2.93 Å)
主引用文献Structural basis of TRPV3 inhibition by an antagonist.
Nat.Chem.Biol., 19, 2023
6W4E
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BU of 6w4e by Molmil
NMR-driven structure of KRAS4B-GTP homodimer on a lipid bilayer nanodisc
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Apolipoprotein A-I, ...
著者Lee, K, Fang, Z, Enomoto, M, Gasmi-Seabrook, G.M, Zheng, L, Marshall, C.B, Ikura, M.
登録日2020-03-10
公開日2020-04-15
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Two Distinct Structures of Membrane-Associated Homodimers of GTP- and GDP-Bound KRAS4B Revealed by Paramagnetic Relaxation Enhancement.
Angew.Chem.Int.Ed.Engl., 59, 2020
2L94
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BU of 2l94 by Molmil
Structure of the HIV-1 frameshift site RNA bound to a small molecule inhibitor of viral replication
分子名称: N'-{(Z)-amino[4-(amino{[3-(dimethylammonio)propyl]iminio}methyl)phenyl]methylidene}-N,N-dimethylpropane-1,3-diaminium, RNA_(45-MER)
著者Marcheschi, R.J, Tonelli, M, Kumar, A, Butcher, S.E.
登録日2011-01-29
公開日2011-06-15
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure of the HIV-1 Frameshift Site RNA Bound to a Small Molecule Inhibitor of Viral Replication.
Acs Chem.Biol., 6, 2011
6KK6
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BU of 6kk6 by Molmil
Crystal structure of Zika NS2B-NS3 protease with compound 16
分子名称: 1-[(5~{R},8~{R},15~{S},18~{S})-15,18-bis(4-azanylbutyl)-5-methyl-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine, GLYCEROL, NS3 protease, ...
著者Quek, J.P.
登録日2019-07-23
公開日2020-06-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structure-Based Macrocyclization of Substrate Analogue NS2B-NS3 Protease Inhibitors of Zika, West Nile and Dengue viruses.
Chemmedchem, 15, 2020
5BX1
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BU of 5bx1 by Molmil
Crystal Structure of PRL-1 complex with compound analogy 3
分子名称: 3-(5,6-dimethyl-2H-isoindol-2-yl)-N'-[(E)-furan-2-ylmethylidene]benzohydrazide, Protein tyrosine phosphatase type IVA 1, SULFATE ION
著者Liu, S, Bai, Y, Zhang, Z.
登録日2015-06-08
公開日2016-12-21
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of PRL-1 complex with compound analogy 3
To Be Published
4PID
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BU of 4pid by Molmil
Crystal structure of human adenovirus 2 protease with a weak pyrimidine nitrile inhibitor
分子名称: ACETATE ION, N-benzyl-2-[(Z)-iminomethyl]pyrimidine-5-carboxamide, Pre-protein VI, ...
著者Mac Sweeney, A, Grosche, P, Ellis, D, Combrink, K, Erbel, P, Hughes, N, Sirockin, F, Melkko, S, Bernardi, A, Ramage, P, Jarousse, N, Altmann, E.
登録日2014-05-08
公開日2014-09-10
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Discovery and structure-based optimization of adenain inhibitors.
Acs Med.Chem.Lett., 5, 2014
6KK4
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BU of 6kk4 by Molmil
Crystal structure of Zika NS2B-NS3 protease with compound 9
分子名称: 1-[(9~{R},16~{S},19~{S})-16,19-bis(4-azanylbutyl)-4,8,15,18,21-pentakis(oxidanylidene)-3,7,14,17,20-pentazabicyclo[21.3.1]heptacosa-1(26),23(27),24-trien-9-yl]guanidine, GLYCEROL, NS3 protease, ...
著者Quek, J.P.
登録日2019-07-23
公開日2020-06-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structure-Based Macrocyclization of Substrate Analogue NS2B-NS3 Protease Inhibitors of Zika, West Nile and Dengue viruses.
Chemmedchem, 15, 2020
3OEO
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BU of 3oeo by Molmil
The crystal structure E. coli Spy
分子名称: CADMIUM ION, Spheroplast protein Y
著者Kwon, E, Kim, D.Y, Gross, C.A, Gross, J.D, Kim, K.K.
登録日2010-08-13
公開日2010-09-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The crystal structure Escherichia coli Spy.
Protein Sci., 19, 2010
4GX9
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BU of 4gx9 by Molmil
Crystal structure of a DNA polymerase III alpha-epsilon chimera
分子名称: DNA polymerase III subunit epsilon,DNA polymerase III subunit alpha
著者Li, N, Horan, N, Xu, Z.-Q, Jacques, D, Dixon, N.E, Oakley, A.J.
登録日2012-09-04
公開日2013-04-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Proofreading exonuclease on a tether: the complex between the E. coli DNA polymerase III subunits alpha, {varepsilon}, theta and beta reveals a highly flexible arrangement of the proofreading domain
Nucleic Acids Res., 41, 2013
4GSX
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BU of 4gsx by Molmil
High resolution structure of dengue virus serotype 1 sE containing stem
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, CHLORIDE ION, ...
著者Klein, D.E, Choi, J.L, Harrison, S.C.
登録日2012-08-28
公開日2012-12-19
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.903 Å)
主引用文献Structure of a dengue virus envelope protein late-stage fusion intermediate.
J.Virol., 87, 2013
7EW1
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BU of 7ew1 by Molmil
Cryo-EM structure of siponimod -bound Sphingosine-1-phosphate receptor 5 in complex with Gi protein
分子名称: 1-[[4-[(~{E})-~{N}-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-~{C}-methyl-carbonimidoyl]-2-ethyl-phenyl]methyl]azetidine-3-carboxylic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Yuan, Y, Jia, G.W, Shao, Z.H, Su, Z.M.
登録日2021-05-24
公開日2021-09-29
最終更新日2025-06-18
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structures of signaling complexes of lipid receptors S1PR1 and S1PR5 reveal mechanisms of activation and drug recognition.
Cell Res., 31, 2021
7EVY
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BU of 7evy by Molmil
Cryo-EM structure of siponimod -bound Sphingosine-1-phosphate receptor 1 in complex with Gi protein
分子名称: 1-[[4-[(~{E})-~{N}-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-~{C}-methyl-carbonimidoyl]-2-ethyl-phenyl]methyl]azetidine-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Jia, G.W, Yuan, Y, Su, Z.M, Shao, Z.H.
登録日2021-05-24
公開日2021-09-29
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献Structures of signaling complexes of lipid receptors S1PR1 and S1PR5 reveal mechanisms of activation and drug recognition.
Cell Res., 31, 2021
2RMA
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BU of 2rma by Molmil
Crystal structures of cyclophilin A complexed with cyclosporin A and N-methyl-4-[(E)-2-butenyl]-4,4-dimethylthreonine cyclosporin A
分子名称: CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE
著者Ke, H, Mayrose, D.
登録日1994-01-07
公開日1995-02-07
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structures of Cyclophilin a Complexed with Cyclosporin a and N-Methyl-4-[(E)-2-Butenyl]-4,4-Dimethylthreonine Cyclosporin A.
Structure, 2, 1994
2RMB
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BU of 2rmb by Molmil
Crystal structures of cyclophilin A complexed with cyclosporin A and N-methyl-4-[(E)-2-butenyl]-4,4-dimethylthreonine cyclosporin A
分子名称: CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE
著者Ke, H, Mayrose, D.
登録日1994-01-07
公開日1995-02-07
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structures of Cyclophilin a Complexed with Cyclosporin a and N-Methyl-4-[(E)-2-Butenyl]-4,4-Dimethylthreonine Cyclosporin A.
Structure, 2, 1994
4GT0
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BU of 4gt0 by Molmil
Structure of dengue virus serotype 1 sE containing stem to residue 421
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, CHLORIDE ION, ...
著者Klein, D.E, Choi, J.L, Harrison, S.C.
登録日2012-08-28
公開日2012-12-19
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Structure of a dengue virus envelope protein late-stage fusion intermediate.
J.Virol., 87, 2013
3CZ4
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BU of 3cz4 by Molmil
Native AphA class B acid phosphatase/phosphotransferase from E. coli
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
著者Leone, R, Cappelletti, E, Benvenuti, M, Lentini, G, Thaller, M.C, Mangani, S.
登録日2008-04-28
公開日2008-11-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural insights into the catalytic mechanism of the bacterial class B phosphatase AphA belonging to the DDDD superfamily of phosphohydrolases.
J.Mol.Biol., 384, 2008
2UZO
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BU of 2uzo by Molmil
Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor
分子名称: 4-{5-[(Z)-(2,4-DIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2
著者Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E.
登録日2007-04-30
公開日2007-06-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of a Potent Cdk2 Inhibitor with a Novel Binding Mode, Using Virtual Screening and Initial, Structure-Guided Lead Scoping.
Bioorg.Med.Chem.Lett., 17, 2007
4Q0I
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BU of 4q0i by Molmil
Deinococcus radiodurans BphP PAS-GAF D207A mutant
分子名称: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome, ISOPROPYL ALCOHOL
著者Burgie, E.S, Vierstra, R.D.
登録日2014-04-02
公開日2014-07-16
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.744 Å)
主引用文献Crystallographic and Electron Microscopic Analyses of a Bacterial Phytochrome Reveal Local and Global Rearrangements during Photoconversion.
J.Biol.Chem., 289, 2014
4Q0H
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BU of 4q0h by Molmil
Deinococcus radiodurans BphP PAS-GAF
分子名称: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome, CHLORIDE ION, ...
著者Burgie, E.S, Vierstra, R.D.
登録日2014-04-02
公開日2014-07-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.157 Å)
主引用文献Crystallographic and Electron Microscopic Analyses of a Bacterial Phytochrome Reveal Local and Global Rearrangements during Photoconversion.
J.Biol.Chem., 289, 2014
8XCE
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BU of 8xce by Molmil
cocrystal structure of p53 in complex of B23
分子名称: 2-[(2~{Z})-2-(3-ethynylphenyl)imino-4-oxidanylidene-1,3-thiazolidin-5-ylidene]ethanoic acid, Cellular tumor antigen p53, ZINC ION
著者Wang, Z, Shujun, X, Yigang, T, Derun, Z, Jiaqi, W, Kai, K, Lu, M.
登録日2023-12-08
公開日2025-06-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献cocrystal structure of p53 in complex of B23
To Be Published
3T1Y
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BU of 3t1y by Molmil
Structure of the Thermus thermophilus 30S ribosomal subunit complexed with a human anti-codon stem loop (HASL) of transfer RNA Lysine 3 (TRNALYS3) bound to an mRNA with an AAG-codon in the A-site and paromomycin
分子名称: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Murphy, F.V, Vendeix, F.A.P, Cantara, W, Leszczynska, G, Gustilo, E.M, Sproat, B, Malkiewicz, A.A.P, Agris, P.F.
登録日2011-07-22
公開日2012-01-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Human tRNA(Lys3)(UUU) Is Pre-Structured by Natural Modifications for Cognate and Wobble Codon Binding through Keto-Enol Tautomerism.
J.Mol.Biol., 416, 2012
3T1H
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BU of 3t1h by Molmil
Structure of the Thermus thermophilus 30S ribosomal subunit complexed with a human anti-codon stem loop (HASL) of transfer RNA lysine 3 (tRNALys3) bound to an mRNA with an AAA-codon in the A-site and Paromomycin
分子名称: 16s rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Murphy, F.V, Vendeix, F.A.P, Cantara, W, Leszczynska, G, Gustilo, E.M, Sproat, B, Malkiewicz, A.A.P, Agris, P.F.
登録日2011-07-21
公開日2012-01-25
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Human tRNA(Lys3)(UUU) Is Pre-Structured by Natural Modifications for Cognate and Wobble Codon Binding through Keto-Enol Tautomerism.
J.Mol.Biol., 416, 2012
7Y1P
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BU of 7y1p by Molmil
CRYSTAL STRUCTURE OF THE RGS-HOMOLOGOUS DOMAIN OF AXIN IN COMPLEX WITH LZ-22Na
分子名称: (2~{Z},4~{Z})-2-methyl-5-(8-oxidanyldibenzofuran-4-yl)penta-2,4-dienal, Axin-1
著者He, Z, Yuchi, Z.
登録日2022-06-08
公開日2023-12-13
実験手法X-RAY DIFFRACTION (2.602 Å)
主引用文献CRYSTAL STRUCTURE OF THE RGS-HOMOLOGOUS DOMAIN OF AXIN IN COMPLEX WITH LZ-22Na
To Be Published
1S1M
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BU of 1s1m by Molmil
Crystal Structure of E. Coli CTP Synthetase
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CTP synthase, IODIDE ION, ...
著者Endrizzi, J.A, Kim, H, Anderson, P.M, Baldwin, E.P.
登録日2004-01-06
公開日2004-06-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of Escherichia coli Cytidine Triphosphate Synthetase, a Nucleotide-Regulated Glutamine Amidotransferase/ATP-Dependent Amidoligase Fusion Protein and Homologue of Anticancer and Antiparasitic Drug Targets
Biochemistry, 43, 2004
2YJT
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BU of 2yjt by Molmil
Crystal structure of E. coli DEAD-box protein SrmB bound to regulator of ribonuclease activity A (RraA)
分子名称: ATP-DEPENDENT RNA HELICASE SRMB, REGULATOR OF RIBONUCLEASE ACTIVITY A
著者Pietras, Z, Hardwick, S.W, Luisi, B.F.
登録日2011-05-23
公開日2012-06-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Potential Regulatory Interactions of Escherichia Coli Rraa Protein with Dead-Box Helicases.
J.Biol.Chem., 288, 2013

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件を2025-07-09に公開中

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